Geometry & MOs

Info

ID:	250785
PubChem CID:	103099044
Reduced:	BrON5C9H10 (1)
Stoich.:	ABC5D9E10 (1)
Weight, g/mol:	259.94798
ΔH_f, kcal/mol:	31.24
Dipole, Da:	2.17
IP(EA), eV:	-8.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=N1)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations